1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea

C16H22N2O2 — CID 97048807

IUPAC1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea
SMILESC#CC[C@@H](CC)NC(=O)N(C1CC1)[C@H](C)c1ccco1
InChIInChI=1S/C16H22N2O2/c1-4-7-13(5-2)17-16(19)18(14-9-10-14)12(3)15-8-6-11-20-15/h1,6,8,11-14H,5,7,9-10H2,2-3H3,(H,17,19)/t12-,13-/m1/s1
InChIKeyZPROJGMHPREDAD-CHWSQXEVSA-N
MW274.36 g/mol
LogP3.32
Rot. Bonds6

About 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea

1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea (PubChem CID 97048807) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea
PubChem CID97048807
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea
SMILESC#CC[C@@H](CC)NC(=O)N(C1CC1)[C@H](C)c1ccco1
InChIInChI=1S/C16H22N2O2/c1-4-7-13(5-2)17-16(19)18(14-9-10-14)12(3)15-8-6-11-20-15/h1,6,8,11-14H,5,7,9-10H2,2-3H3,(H,17,19)/t12-,13-/m1/s1
InChIKeyZPROJGMHPREDAD-CHWSQXEVSA-N
XLogP3.32
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60576605
3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048743
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea
CID 97222800
1-cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420
1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048818
1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea
CID 71972779
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(2-pyridin-3-ylethyl)urea
CID 97048571
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
CID 97048634
1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425426
1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425430
3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide
CID 71922388
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 97048766

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea?
The IUPAC name of 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea (CID 97048807) is 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea is C#CC[C@@H](CC)NC(=O)N(C1CC1)[C@H](C)c1ccco1.
What is the InChIKey of 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea?
The InChIKey is ZPROJGMHPREDAD-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-7-13(5-2)17-16(19)18(14-9-10-14)12(3)15-8-6-11-20-15/h1,6,8,11-14H,5,7,9-10H2,2-3H3,(H,17,19)/t12-,13-/m1/s1.
What are the key properties of 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea?
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea has a molecular weight of 274.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea is sourced from PubChem (CID 97048807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).